5D7A
Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 212.620, 124.972, 49.897 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 46.920 - 2.900 |
R-factor | 0.1868 |
Rwork | 0.184 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x7f |
RMSD bond length | 0.004 |
RMSD bond angle | 0.822 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.920 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.117 | |
Number of reflections | 28803 | |
<I/σ(I)> | 15.8 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M Ammonium sulfate 0.1M Bis-tris (5.6) 15% PEG3350 7% Ethyleneglycol |